#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdm s THR 2 N 0.00 4.93 -0.07 4.28 -4.23 -1.26 -2.05 115.64 117.25 2kdm s THR 2 Ca 0.00 -0.36 -0.03 0.00 -1.18 0.00 0.00 61.69 60.12 2kdm s THR 2 Cb 0.00 -3.54 -0.04 0.00 1.34 0.00 0.00 72.50 70.26 2kdm s THR 2 CO 0.00 0.01 0.08 -0.31 -0.54 0.00 0.00 174.62 173.85 2kdm s TYR 3 N 1.66 3.36 0.13 3.99 1.51 -0.88 -4.81 117.35 122.30 2kdm s TYR 3 Ca 0.05 0.31 0.09 0.00 -1.01 0.00 0.00 57.07 56.52 2kdm s TYR 3 Cb -0.17 -1.82 -0.04 0.00 -0.11 0.00 0.00 41.96 39.81 2kdm s TYR 3 CO 0.08 0.59 -0.22 0.15 -1.11 0.00 0.00 175.55 175.04 2kdm s LYS 4 N -1.23 1.26 -0.09 -0.62 1.02 -1.05 -2.29 119.74 116.74 2kdm s LYS 4 Ca 0.17 -1.29 0.01 0.00 0.02 0.00 0.00 55.97 54.88 2kdm s LYS 4 Cb -0.12 -1.56 0.02 0.00 -0.52 0.00 0.00 37.83 35.65 2kdm s LYS 4 CO 0.07 0.36 -0.08 -1.17 -0.92 0.00 0.00 175.35 173.60 2kdm s LEU 5 N -2.16 1.31 -0.39 3.17 2.96 0.31 0.86 118.68 124.74 2kdm s LEU 5 Ca 0.11 -0.27 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 2kdm s LEU 5 Cb -0.09 -0.77 0.03 0.00 0.50 0.00 0.00 46.19 45.86 2kdm s LEU 5 CO 0.06 -0.07 0.25 -0.63 -1.32 0.00 0.00 176.35 174.64 2kdm s ILE 6 N 1.30 4.75 -0.23 6.68 -1.09 0.85 -0.63 121.20 132.84 2kdm s ILE 6 Ca -0.03 -0.88 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 2kdm s ILE 6 Cb -0.14 -3.69 -0.05 0.00 -1.58 0.00 0.00 42.46 37.00 2kdm s ILE 6 CO -0.03 -0.31 0.14 -0.76 -1.23 0.00 0.00 174.94 172.75 2kdm s LEU 7 N 1.58 4.08 -0.31 2.97 1.43 -0.53 -0.45 118.68 127.45 2kdm s LEU 7 Ca 0.03 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.25 2kdm s LEU 7 Cb -0.20 -2.08 0.09 0.00 0.03 0.00 0.00 46.19 44.03 2kdm s LEU 7 CO 0.07 0.09 0.06 0.21 0.23 0.00 0.00 176.35 177.01 2kdm s ASN 8 N 0.92 4.24 0.54 2.29 3.04 -0.32 -2.32 114.94 123.33 2kdm s ASN 8 Ca 0.07 -1.74 0.04 0.00 0.04 0.00 0.00 52.86 51.27 2kdm s ASN 8 Cb -0.13 -1.15 0.03 0.00 -1.54 0.00 0.00 41.25 38.45 2kdm s ASN 8 CO 0.03 -0.38 0.30 -1.48 -3.04 0.00 0.00 177.10 172.53 2kdm s LEU 9 N 1.35 2.57 -1.22 3.21 2.34 -1.25 -0.48 118.68 125.20 2kdm s LEU 9 Ca 0.08 -1.37 -0.06 0.00 0.06 0.00 0.00 54.13 52.84 2kdm s LEU 9 Cb -0.18 -1.05 0.20 0.00 -0.56 0.00 0.00 46.19 44.60 2kdm s LEU 9 CO -0.17 -1.06 1.91 1.17 -1.06 0.00 0.00 176.35 177.14 2kdm n LYS 10 N -1.65 4.21 0.00 1.48 0.00 -1.26 -4.08 118.16 116.85 2kdm n LYS 10 Ca -0.07 -3.84 0.00 0.00 0.00 0.00 0.00 58.31 54.41 2kdm n LYS 10 Cb 0.65 -2.72 0.00 0.00 0.00 0.00 0.00 35.03 32.96 2kdm n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2kdm n GLN 11 N 2.45 0.00 -3.53 1.64 7.27 -1.26 -5.16 117.38 118.79 2kdm n GLN 11 Ca 0.43 0.00 -0.10 0.00 0.07 0.00 0.00 57.00 57.40 2kdm n GLN 11 Cb 0.32 0.00 -0.03 0.00 2.41 0.00 0.00 30.24 32.93 2kdm n GLN 11 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kdm s ALA 12 N -1.63 -1.86 -0.19 1.69 0.00 -1.26 -5.15 121.76 113.36 2kdm s ALA 12 Ca 0.00 1.26 -0.18 0.00 0.00 0.00 0.00 51.96 53.04 2kdm s ALA 12 Cb 0.00 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2kdm s ALA 12 CO 0.00 -0.53 0.50 0.21 0.00 0.00 0.00 175.76 175.95 2kdm s LYS 13 N -2.24 4.20 -0.07 0.00 2.20 -1.26 -3.79 119.74 118.77 2kdm s LYS 13 Ca 0.02 0.40 0.03 0.00 -0.36 0.00 0.00 55.97 56.05 2kdm s LYS 13 Cb -0.01 -3.55 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 2kdm s LYS 13 CO -0.04 -0.12 -0.16 -1.21 -0.36 0.00 0.00 175.35 173.47 2kdm s GLU 14 N 1.53 2.75 -0.20 4.03 2.02 -0.98 -5.04 118.70 122.82 2kdm s GLU 14 Ca 0.24 -0.72 -0.04 0.00 0.02 0.00 0.00 54.97 54.47 2kdm s GLU 14 Cb -0.15 -2.42 -0.01 0.00 0.10 0.00 0.00 34.13 31.65 2kdm s GLU 14 CO 0.09 0.47 -0.04 -1.21 0.02 0.00 0.00 175.26 174.60 2kdm s GLU 15 N -0.35 3.46 -0.11 1.61 2.02 -1.26 -1.45 118.70 122.63 2kdm s GLU 15 Ca 0.03 -0.60 -0.01 0.00 0.02 0.00 0.00 54.97 54.41 2kdm s GLU 15 Cb -0.12 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.11 2kdm s GLU 15 CO 0.02 -0.05 -0.05 0.00 0.02 0.00 0.00 175.26 175.21 2kdm s ALA 16 N 1.11 3.03 0.05 5.21 0.00 0.20 -4.99 121.76 126.36 2kdm s ALA 16 Ca 0.01 -0.85 -0.08 0.00 0.00 0.00 0.00 51.96 51.04 2kdm s ALA 16 Cb -0.15 -1.39 -0.00 0.00 0.00 0.00 0.00 23.12 21.58 2kdm s ALA 16 CO -0.00 0.43 0.17 0.96 0.00 0.00 0.00 175.76 177.32 2kdm s ILE 17 N -0.35 0.12 -0.29 0.00 -4.36 -1.26 0.11 121.20 115.18 2kdm s ILE 17 Ca 0.05 -0.98 -0.20 0.00 -0.26 0.00 0.00 60.65 59.27 2kdm s ILE 17 Cb -0.12 -0.97 0.14 0.00 1.25 0.00 0.00 42.46 42.76 2kdm s ILE 17 CO 0.02 -0.54 1.00 -0.75 0.24 0.00 0.00 174.94 174.91 2kdm s LYS 18 N -2.74 0.43 -0.30 0.37 2.47 -0.97 -5.02 119.74 113.98 2kdm s LYS 18 Ca -0.04 0.64 -0.07 0.00 -1.56 0.00 0.00 55.97 54.94 2kdm s LYS 18 Cb -0.00 0.14 0.01 0.00 -1.46 0.00 0.00 37.83 36.52 2kdm s LYS 18 CO -0.05 -0.07 0.09 -1.21 0.16 0.00 0.00 175.35 174.27 2kdm s GLU 19 N 0.88 3.06 0.22 4.03 8.01 -1.26 -2.08 118.70 131.56 2kdm s GLU 19 Ca -0.04 -0.88 0.01 0.00 0.01 0.00 0.00 54.97 54.07 2kdm s GLU 19 Cb -0.04 -3.40 -0.05 0.00 -4.31 0.00 0.00 34.13 26.33 2kdm s GLU 19 CO -0.12 -0.47 0.08 0.00 0.01 0.00 0.00 175.26 174.76 2kdm s ALA 20 N 1.50 1.48 -0.50 5.21 0.00 -0.87 -5.00 121.76 123.58 2kdm s ALA 20 Ca 0.02 -1.75 0.08 0.00 0.00 0.00 0.00 51.96 50.31 2kdm s ALA 20 Cb -0.17 0.99 0.51 0.00 0.00 0.00 0.00 23.12 24.44 2kdm s ALA 20 CO 0.03 -0.45 1.31 0.28 0.00 0.00 0.00 175.76 176.93 2kdm n VAL 21 N -0.36 1.80 -2.57 0.00 0.31 -1.26 -1.24 118.33 115.01 2kdm n VAL 21 Ca -0.01 -0.91 0.00 0.00 -0.01 0.00 0.00 64.34 63.41 2kdm n VAL 21 Cb 0.65 -0.39 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2kdm n VAL 21 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2kdm n ASP 22 N 0.31 0.00 0.00 4.52 -0.08 -1.26 -4.85 116.55 115.19 2kdm n ASP 22 Ca 0.19 -0.54 0.00 0.00 -1.51 0.00 0.00 54.79 52.93 2kdm n ASP 22 Cb 0.88 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.34 2kdm n ASP 22 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kdm n ALA 23 N -3.00 2.12 -0.28 -1.67 0.00 -1.26 -4.50 120.51 111.91 2kdm n ALA 23 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 53.44 53.75 2kdm n ALA 23 Cb 0.00 0.50 0.70 0.00 0.00 0.00 0.00 19.45 20.65 2kdm n ALA 23 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kdm h GLY 24 N 0.00 0.20 2.00 0.00 0.00 -2.00 1.01 103.07 104.29 2kdm h GLY 24 Ca 0.00 -0.03 -0.19 0.00 0.00 0.00 0.00 47.33 47.10 2kdm h GLY 24 CO 0.00 -0.02 -0.93 -0.84 0.00 0.00 0.00 176.54 174.75 2kdm h THR 25 N 0.07 1.59 -0.32 4.70 2.02 -1.99 -2.68 112.91 116.31 2kdm h THR 25 Ca 0.53 -3.25 -0.16 0.00 0.77 0.00 0.00 66.41 64.30 2kdm h THR 25 Cb 1.98 2.78 -0.01 0.00 -1.74 0.00 0.00 68.15 71.17 2kdm h THR 25 CO -0.05 0.91 -0.45 0.00 0.37 0.00 0.00 175.52 176.29 2kdm h ALA 26 N 1.07 0.61 0.44 6.16 0.00 0.75 -0.73 119.26 127.57 2kdm h ALA 26 Ca -0.01 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2kdm h ALA 26 Cb 1.71 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2kdm h ALA 26 CO 0.12 0.68 -0.21 1.49 0.00 0.00 0.00 179.25 181.32 2kdm h GLU 27 N 0.66 -0.58 -0.85 0.00 4.81 -1.16 0.38 114.58 117.85 2kdm h GLU 27 Ca 0.04 0.04 0.14 0.00 -0.13 0.00 0.00 59.36 59.45 2kdm h GLU 27 Cb 1.03 0.13 -0.06 0.00 0.63 0.00 0.00 28.75 30.47 2kdm h GLU 27 CO 0.10 -0.38 0.55 0.87 -0.73 0.00 0.00 179.01 179.42 2kdm h LYS 28 N -1.04 0.60 0.08 1.92 1.57 -1.57 0.61 116.57 118.73 2kdm h LYS 28 Ca -0.06 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2kdm h LYS 28 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.63 2kdm h LYS 28 CO 0.10 0.39 -0.04 -0.92 -0.57 0.00 0.00 179.45 178.42 2kdm h TYR 29 N 0.61 -0.10 -0.71 -1.35 5.03 -1.16 -2.57 116.97 116.73 2kdm h TYR 29 Ca 0.42 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.73 2kdm h TYR 29 Cb 0.74 0.03 -0.03 0.00 1.55 0.00 0.00 36.73 39.02 2kdm h TYR 29 CO -0.00 0.42 0.46 0.74 -1.32 0.00 0.00 178.16 178.45 2kdm h PHE 30 N -0.68 0.91 -0.42 -3.82 0.04 -0.32 -1.41 116.94 111.23 2kdm h PHE 30 Ca -0.01 0.01 0.07 0.00 2.80 0.00 0.00 57.97 60.84 2kdm h PHE 30 Cb 0.56 -0.30 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2kdm h PHE 30 CO 0.11 0.58 0.29 -0.22 -0.60 0.00 0.00 178.31 178.47 2kdm h LYS 31 N 0.96 0.27 -0.25 1.51 3.64 0.16 0.61 116.57 123.48 2kdm h LYS 31 Ca 0.26 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.44 2kdm h LYS 31 Cb -0.09 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 2kdm h LYS 31 CO -0.05 0.18 -0.57 -0.07 -2.27 0.00 0.00 179.45 176.67 2kdm h LEU 32 N 0.28 0.85 0.12 5.20 3.38 -0.84 -2.05 115.31 122.26 2kdm h LEU 32 Ca 0.19 -0.46 -0.29 0.00 0.09 0.00 0.00 57.88 57.41 2kdm h LEU 32 Cb 0.39 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kdm h LEU 32 CO -0.04 1.24 -1.36 -0.29 0.09 0.00 0.00 178.44 178.08 2kdm h ILE 33 N 0.58 1.36 0.51 1.22 6.09 -0.91 -2.68 117.51 123.69 2kdm h ILE 33 Ca 0.01 -2.96 -0.03 0.00 -1.37 0.00 0.00 64.86 60.52 2kdm h ILE 33 Cb 1.15 2.87 0.01 0.00 0.47 0.00 0.00 36.82 41.32 2kdm h ILE 33 CO 0.12 0.86 -0.25 0.00 -3.07 0.00 0.00 178.15 175.81 2kdm h ALA 34 N 0.55 -0.99 -0.78 0.18 0.00 0.15 0.61 119.26 118.99 2kdm h ALA 34 Ca -0.18 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.62 2kdm h ALA 34 Cb 1.99 0.27 -0.05 0.00 0.00 0.00 0.00 17.79 20.00 2kdm h ALA 34 CO 0.19 -0.94 0.51 -0.91 0.00 0.00 0.00 179.25 178.10 2kdm h ASN 35 N -0.82 0.80 1.08 0.00 -0.26 -1.47 1.05 115.58 115.96 2kdm h ASN 35 Ca -0.07 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.64 2kdm h ASN 35 Cb 0.53 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.60 2kdm h ASN 35 CO 0.12 0.54 -0.13 0.00 -1.06 0.00 0.00 177.43 176.90 2kdm h ALA 36 N 1.56 1.00 0.00 -0.83 0.00 -1.47 -3.19 119.26 116.32 2kdm h ALA 36 Ca 0.32 -0.12 -0.32 0.00 0.00 0.00 0.00 54.91 54.79 2kdm h ALA 36 Cb 0.10 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 2kdm h ALA 36 CO -0.10 0.16 -2.33 1.63 0.00 0.00 0.00 179.25 178.62 2kdm n LYS 37 N -3.24 0.72 -4.10 0.00 4.76 0.20 -5.04 118.16 111.46 2kdm n LYS 37 Ca 0.01 -0.03 -0.15 0.00 -2.87 0.00 0.00 58.31 55.26 2kdm n LYS 37 Cb 0.40 -1.51 -0.04 0.00 -1.84 0.00 0.00 35.03 32.04 2kdm n LYS 37 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2kdm s THR 38 N -2.61 0.00 -0.24 -0.18 -4.23 0.35 -5.06 115.64 103.67 2kdm s THR 38 Ca -0.10 -1.61 0.18 0.00 -1.18 0.00 0.00 61.69 58.98 2kdm s THR 38 Cb 0.07 -2.66 0.42 0.00 1.34 0.00 0.00 72.50 71.66 2kdm s THR 38 CO 0.83 0.00 1.27 0.52 -0.54 0.00 0.00 174.62 176.69 2kdm n VAL 39 N -0.58 0.55 -3.65 2.29 0.31 -1.26 -3.85 118.33 112.13 2kdm n VAL 39 Ca 0.01 -1.74 -0.01 0.00 -0.01 0.00 0.00 64.34 62.59 2kdm n VAL 39 Cb 0.61 1.09 -0.07 0.00 -0.91 0.00 0.00 33.84 34.57 2kdm n VAL 39 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 2kdm s GLU 40 N -1.60 0.14 0.00 5.55 2.12 -1.26 -5.15 118.70 118.49 2kdm s GLU 40 Ca 0.19 0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.72 2kdm s GLU 40 Cb 0.34 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.78 2kdm s GLU 40 CO -0.08 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.02 2kdm n GLY 41 N 2.49 1.80 3.38 -1.50 0.00 -1.26 -4.22 105.19 105.88 2kdm n GLY 41 Ca -0.14 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 2kdm n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kdm s VAL 42 N -2.00 4.76 0.03 1.61 -7.23 0.33 -4.68 120.40 113.23 2kdm s VAL 42 Ca 0.00 -0.91 -0.30 0.00 -1.81 0.00 0.00 61.98 58.96 2kdm s VAL 42 Cb 0.00 -3.71 -0.06 0.00 0.56 0.00 0.00 36.38 33.17 2kdm s VAL 42 CO 0.00 -0.33 1.37 0.26 -0.31 0.00 0.00 175.10 176.09 2kdm s TRP 43 N 1.58 3.02 -0.03 2.82 0.52 -1.23 -2.56 118.94 123.05 2kdm s TRP 43 Ca 0.03 0.91 -0.11 0.00 0.02 0.00 0.00 56.10 56.95 2kdm s TRP 43 Cb -0.20 -3.63 0.02 0.00 -1.15 0.00 0.00 33.47 28.50 2kdm s TRP 43 CO 0.07 -2.28 0.25 0.95 0.02 0.00 0.00 176.95 175.96 2kdm s THR 44 N 1.94 0.05 -0.04 2.01 -4.23 0.77 -4.94 115.64 111.20 2kdm s THR 44 Ca 0.63 -0.41 -0.04 0.00 -1.18 0.00 0.00 61.69 60.70 2kdm s THR 44 Cb -0.32 -0.50 0.01 0.00 1.34 0.00 0.00 72.50 73.03 2kdm s THR 44 CO 0.28 -0.22 0.11 -0.47 -0.54 0.00 0.00 174.62 173.77 2kdm s TYR 45 N -0.94 -0.12 -0.14 3.99 5.04 -1.26 0.14 117.35 124.06 2kdm s TYR 45 Ca -0.10 0.32 0.02 0.00 -2.44 0.00 0.00 57.07 54.87 2kdm s TYR 45 Cb -0.05 0.02 0.01 0.00 0.35 0.00 0.00 41.96 42.29 2kdm s TYR 45 CO 0.02 -0.07 -0.21 0.21 -1.34 0.00 0.00 175.55 174.16 2kdm s LYS 46 N 0.21 2.91 0.40 4.97 2.20 -0.56 -4.98 119.74 124.89 2kdm s LYS 46 Ca -0.01 -0.81 0.21 0.00 -0.36 0.00 0.00 55.97 54.99 2kdm s LYS 46 Cb -0.02 -2.36 0.73 0.00 -1.51 0.00 0.00 37.83 34.66 2kdm s LYS 46 CO -0.01 -0.02 1.75 0.22 -0.36 0.00 0.00 175.35 176.93 2kdm h ASP 47 N 7.35 0.00 -0.84 1.43 1.82 -1.96 0.22 116.42 124.43 2kdm h ASP 47 Ca -0.32 0.00 0.18 0.00 -0.39 0.00 0.00 57.03 56.50 2kdm h ASP 47 Cb 1.19 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.14 2kdm h ASP 47 CO 0.55 0.32 0.56 -0.08 -1.61 0.00 0.00 179.24 178.98 2kdm h GLU 48 N 0.00 0.39 0.00 0.28 4.57 -1.97 -2.93 114.58 114.92 2kdm h GLU 48 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 2kdm h GLU 48 Cb 0.87 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.37 2kdm h GLU 48 CO 0.04 0.26 0.00 -0.89 -1.18 0.00 0.00 179.01 177.24 2kdm n ILE 49 N -4.49 0.05 -3.28 2.32 5.41 -1.19 -5.06 119.36 113.12 2kdm n ILE 49 Ca 0.17 -0.30 -0.08 0.00 1.00 0.00 0.00 62.75 63.54 2kdm n ILE 49 Cb 0.63 1.38 0.00 0.00 -0.71 0.00 0.00 39.64 40.95 2kdm n ILE 49 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 176.55 176.84 2kdm n LYS 50 N -0.02 -1.41 -3.71 0.38 5.02 0.73 -4.75 118.16 114.40 2kdm n LYS 50 Ca 0.00 1.24 -0.14 0.00 -2.02 0.00 0.00 58.31 57.39 2kdm n LYS 50 Cb 0.13 -4.81 -0.09 0.00 -0.02 0.00 0.00 35.03 30.24 2kdm n LYS 50 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2kdm s THR 51 N -3.03 0.01 0.30 -0.18 -4.23 -1.01 -2.54 115.64 104.96 2kdm s THR 51 Ca 0.04 -0.08 0.07 0.00 -1.18 0.00 0.00 61.69 60.54 2kdm s THR 51 Cb -0.01 -0.66 -0.03 0.00 1.34 0.00 0.00 72.50 73.14 2kdm s THR 51 CO 0.79 -0.05 0.25 -0.36 -0.54 0.00 0.00 174.62 174.72 2kdm s PHE 52 N -0.14 2.99 -0.02 3.99 0.40 0.25 -1.50 117.98 123.95 2kdm s PHE 52 Ca -0.03 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 55.98 2kdm s PHE 52 Cb -0.03 -1.63 0.01 0.00 0.51 0.00 0.00 43.02 41.88 2kdm s PHE 52 CO 0.02 0.32 0.21 0.99 0.70 0.00 0.00 175.22 177.46 2kdm s THR 53 N -2.23 0.06 -0.28 0.64 2.01 0.36 -0.11 115.64 116.09 2kdm s THR 53 Ca 0.38 -0.49 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 2kdm s THR 53 Cb -0.07 -0.47 0.09 0.00 0.01 0.00 0.00 72.50 72.06 2kdm s THR 53 CO 0.26 -0.27 0.10 0.54 -0.69 0.00 0.00 174.62 174.55 2kdm s VAL 54 N -1.09 0.44 -0.22 3.82 0.11 0.40 -0.16 120.40 123.70 2kdm s VAL 54 Ca -0.12 -0.97 -0.08 0.00 -2.93 0.00 0.00 61.98 57.88 2kdm s VAL 54 Cb -0.06 -1.27 -0.04 0.00 -1.53 0.00 0.00 36.38 33.49 2kdm s VAL 54 CO 0.02 -0.59 0.09 -0.89 -3.33 0.00 0.00 175.10 170.40 2kdm s THR 55 N 1.85 4.75 -2.83 5.04 2.01 -1.06 -1.18 115.64 124.23 2kdm s THR 55 Ca 0.07 -0.04 0.25 0.00 0.31 0.00 0.00 61.69 62.29 2kdm s THR 55 Cb -0.17 -3.19 0.31 0.00 0.01 0.00 0.00 72.50 69.47 2kdm s THR 55 CO -0.26 0.39 1.43 1.21 -0.69 0.00 0.00 174.62 176.70